Predicting the Relative Binding Affinity for Reversible Covalent Inhibitors by Free Energy Perturbation Calculations - Bonatto, Vinícius; Shamim, Anwar; Rocho, Fernanda dos Reis; Leitão, Andrei; Luque, F. Javier; Montanari, Carlos Alberto (Journal of Chemical Information and Modeling, 2021)